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82936-49-0 | 4-Oxazolemethanol, 4,5-dihydro-2-phenyl-, (4R)-
CAS No: 82936-49-0 Catalog No: AG00549I MDL No:MFCD30557016
Product Description
Catalog Number:
AG00549I
Chemical Name:
4-Oxazolemethanol, 4,5-dihydro-2-phenyl-, (4R)-
CAS Number:
82936-49-0
Molecular Formula:
C10H11NO2
Molecular Weight:
177.1998
MDL Number:
MFCD30557016
IUPAC Name:
[(4R)-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl]methanol
InChI:
InChI=1S/C10H11NO2/c12-6-9-7-13-10(11-9)8-4-2-1-3-5-8/h1-5,9,12H,6-7H2/t9-/m1/s1
InChI Key:
NRVMSFKEGIGIHL-SECBINFHSA-N
SMILES:
OC[C@@H]1COC(=N1)c1ccccc1
Properties
Complexity:
197
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
177.079g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
177.203g/mol
Monoisotopic Mass:
177.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
41.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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